(2S)-N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]propanamide CAS Name: (2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-(4-chloro-2-methoxy-5-methyl-phenyl)-2-(4-tosylpiperazin-1-ium-1-yl)propionamide Formula: C22H29ClN3O4S+ MolecularWeight: 467.00136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C)C(=O)NC3=C(C=C(C(=C3)C)Cl)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@@H](C)C(=O)NC3=C(C=C(C(=C3)C)Cl)OC

InChI

InChI=1S/C22H28ClN3O4S/c1-15-5-7-18(8-6-15)31(28,29)26-11-9-25(10-12-26)17(3)22(27)24-20-13-16(2)19(23)14-21(20)30-4/h5-8,13-14,17H,9-12H2,1-4H3,(H,24,27)/p+1/t17-/m0/s1